Reaction Details  Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50461254
Substrate
n/a
Meas. Tech.
ChEMBL_1771112 (CHEMBL4223224)
IC50
3583±n/a nM
Citation
 Nizi, E; Sferrazza, A; Fabbrini, D; Nardi, V; Andreini, M; Graziani, R; Gennari, N; Bresciani, A; Paonessa, G; Harper, S Peptidomimetic nitrile inhibitors of malarial protease falcipain-2 with high selectivity against human cathepsins. Bioorg Med Chem Lett 28:1540-1544 (2018) [PubMed]  Article
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM50461254
Synonyms:
CHEMBL4225367
Type:
Small organic molecule
Emp. Form.:
C30H30N4O3
Mol. Mass.:
494.5842
SMILES:
O=C(NC1(CC1)C#N)[C@H](Cc1ccc(O[C@@H]2CCNC2)cc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: